CID 9576137

1-cinnamylidenethiosemicarbazide

Structural Information

Molecular Formula
C10H11N3S
SMILES
C1=CC=C(C=C1)/C=C\C=N\NC(=S)N
InChI
InChI=1S/C10H11N3S/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)/b7-4-,12-8+
InChIKey
SHUQFXIRXYXNOZ-OTIJGBKASA-N
Compound name
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06737 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07465 144.1
[M+Na]+ 228.05659 149.9
[M-H]- 204.06009 148.3
[M+NH4]+ 223.10119 162.9
[M+K]+ 244.03053 145.5
[M+H-H2O]+ 188.06463 136.8
[M+HCOO]- 250.06557 166.2
[M+CH3COO]- 264.08122 191.0
[M+Na-2H]- 226.04204 147.9
[M]+ 205.06682 142.0
[M]- 205.06792 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe